Versions Compared

Old Version 3

changes.mady.by.user Sudhakar Pamidighantam

Saved on

compared with

New Version Current

changes.mady.by.user Sudhakar Pamidighantam

Saved on

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

c4b4nhtwbs3.com

 

c4b4nhtwbs3.com.inp

 

The two inputs above are same. They will create checkpoint files. This can be used later for another run using the following in the input file ( note an extra blank line at the bottom is needed).

 

%chk=c4b4nhtwBS2.chk
%nprocshared=4
%mem=2500MB
#P RHF/6-311++g* geom=check guess=check opt pop=reg gfinput gfprint iop(6/7=3) SCF=direct

RHF/6-31g* Opt gfinput gfprint iop(6/7=3) scf=conventional\\Gaussia
n Template C4B4N2H2 from GridChem Molecule Built by NCSA-Nanocad

0,1